![4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid structure](/static/products/3147/314761-55-2.webp)
4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
TL;DR: 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid (CAS 314761-55-2) is a chemical compound with molecular formula C20H14ClN5O3S and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid, 4-(2-(1-(4-(4-Chlorophenyl)thiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)benzoic acid, 4-[[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid, 4-[(2E)-2-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid, 4-[(2Z)-2-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C20H14ClN5O3S |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 5.36452 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.0506 |
| Heavy Atoms | 30 |
| Complexity | 1303.718 |
Chemical Identifiers
| CAS Number | 314761-55-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Cl)N=NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid (CAS 314761-55-2), with molecular formula C20H14ClN5O3S and molecular weight 439.05 g/mol. IUPAC: 4-[[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
Property Insights of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid
The XLogP value of 5.36452 indicates that 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid. Following Lipinski's Rule of Five, 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The CAS number of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is 314761-55-2.
What is the molecular formula of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The molecular formula of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is C20H14ClN5O3S.
What is the molecular weight of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
The molecular weight of 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid is 439.05 g/mol.
Where can I buy 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
You can request a quote for 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-{1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.